2-[(2-methoxy-4-oxidanyliodanuidyl-phenyl)diazenyl]-6-methyl-4-phenyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 2-[(2-methoxy-4-oxidanyliodanuidyl-phenyl)diazenyl]-6-methyl-4-phenyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-(4-hydroxyiodanuidyl-2-methoxy-phenyl)azo-6-methyl-4-phenyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-(4-hydroxyiodanuidyl-2-methoxyphenyl)azo-6-methyl-4-phenyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-[(4-hydroxyiodanuidyl-2-methoxyphenyl)diazenyl]-6-methyl-4-phenyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-(4-hydroxyiodanuidyl-2-methoxy-phenyl)azo-6-methyl-4-phenyl-1,3-benzothiazole-7-sulfonic acid Formula: C21H17IN3O5S2- MolecularWeight: 582.41125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1)C3=CC=CC=C3)N=C(S2)N=NC4=C(C=C(C=C4)[I-]O)OC)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C(=C1)C3=CC=CC=C3)N=C(S2)N=NC4=C(C=C(C=C4)[I-]O)OC)S(=O)(=O)O

InChI

InChI=1S/C21H17IN3O5S2/c1-12-10-15(13-6-4-3-5-7-13)18-19(20(12)32(27,28)29)31-21(23-18)25-24-16-9-8-14(22-26)11-17(16)30-2/h3-11,26H,1-2H3,(H,27,28,29)/q-1